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147687-17-0 | 4H-Pyrido[1,2-a]pyrimidin-4-one, 3-(2-chloroethyl)-2-methyl-9-(phenylmethoxy)-
CAS No: 147687-17-0 Catalog No: AG001F3D MDL No:MFCD09840232
Product Description
Catalog Number:
AG001F3D
Chemical Name:
4H-Pyrido[1,2-a]pyrimidin-4-one, 3-(2-chloroethyl)-2-methyl-9-(phenylmethoxy)-
CAS Number:
147687-17-0
Molecular Formula:
C18H17ClN2O2
Molecular Weight:
328.7928
MDL Number:
MFCD09840232
IUPAC Name:
3-(2-chloroethyl)-2-methyl-9-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
InChI:
InChI=1S/C18H17ClN2O2/c1-13-15(9-10-19)18(22)21-11-5-8-16(17(21)20-13)23-12-14-6-3-2-4-7-14/h2-8,11H,9-10,12H2,1H3
InChI Key:
DFZLZGAIWJGCIJ-UHFFFAOYSA-N
SMILES:
ClCCc1c(C)nc2n(c1=O)cccc2OCc1ccccc1
Properties
Complexity:
598
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.098g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.796g/mol
Monoisotopic Mass:
328.098g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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